(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide

C16H15N3O7 — CID 7819024

IUPAC(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O7/c1-10(26-15-6-4-3-5-13(15)19(23)24)16(20)17-12-9-11(18(21)22)7-8-14(12)25-2/h3-10H,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyNYUMMHNLNQMXQM-SNVBAGLBSA-N
MW361.31 g/mol
LogP2.92
Rot. Bonds7

About (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide

(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide (PubChem CID 7819024) has the molecular formula C16H15N3O7 and a molecular weight of 361.31 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
PubChem CID7819024
Molecular FormulaC16H15N3O7
Molecular Weight361.31 g/mol
Exact Mass361.09
IUPAC Name(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O7/c1-10(26-15-6-4-3-5-13(15)19(23)24)16(20)17-12-9-11(18(21)22)7-8-14(12)25-2/h3-10H,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyNYUMMHNLNQMXQM-SNVBAGLBSA-N
XLogP2.92
TPSA133.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43875640
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7762594
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
(2R)-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763186
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 46650196
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7990835
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide (CID 7819024) is (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide?
The InChIKey is NYUMMHNLNQMXQM-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3O7/c1-10(26-15-6-4-3-5-13(15)19(23)24)16(20)17-12-9-11(18(21)22)7-8-14(12)25-2/h3-10H,1-2H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide?
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide has a molecular weight of 361.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 7819024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).